7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]

C36H29Br — CID 167353716

IUPAC7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESBrc1ccc2ccc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)cc2c1
InChIInChI=1S/C36H29Br/c37-29-12-10-23-8-9-25(19-26(23)20-29)30-6-3-7-33-34(30)32-13-11-24-4-1-2-5-31(24)35(32)36(33)27-15-21-14-22(17-27)18-28(36)16-21/h1-13,19-22,27-28H,14-18H2
InChIKeyYEFZCHFOGYEIHH-UHFFFAOYSA-N
MW541.53 g/mol
LogP10.15
Rot. Bonds1

About 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]

7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene] (PubChem CID 167353716) has the molecular formula C36H29Br and a molecular weight of 541.53 g/mol. Its IUPAC name is 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene].

Molecular Properties

Compound Name7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
PubChem CID167353716
Molecular FormulaC36H29Br
Molecular Weight541.53 g/mol
Exact Mass540.15
IUPAC Name7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
SMILESBrc1ccc2ccc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)cc2c1
InChIInChI=1S/C36H29Br/c37-29-12-10-23-8-9-25(19-26(23)20-29)30-6-3-7-33-34(30)32-13-11-24-4-1-2-5-31(24)35(32)36(33)27-15-21-14-22(17-27)18-28(36)16-21/h1-13,19-22,27-28H,14-18H2
InChIKeyYEFZCHFOGYEIHH-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.53
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[adamantane-2,11'-benzo[a]fluorene]-6'-ylnaphthalen-2-yl)-1,3,5-triazine
CID 167353889
2-naphthalen-2-yl-4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-8'-yl-1,3,5-triazine
CID 167353705
8'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,7'-benzo[c]fluorene]
CID 168808880
9-phenyl-3-(4-phenyl-6-spiro[adamantane-2,11'-benzo[a]fluorene]-7'-yl-1,3,5-triazin-2-yl)carbazole
CID 167353778
2-phenyl-3-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylphenanthro[9,10-b]pyrazine
CID 167353810
2,4-diphenyl-6-[3-(3-spiro[adamantane-2,7'-benzo[g]fluorene]-8'-ylphenyl)phenyl]-1,3,5-triazine
CID 167353965
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylnaphthalen-1-yl)-1,3,5-triazine
CID 167353905
4-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808737
4'-(10-naphthalen-1-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808869

Frequently Asked Questions

What is the IUPAC name of 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The IUPAC name of 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene] (CID 167353716) is 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene].
What is the SMILES notation for 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The canonical SMILES for 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene] is Brc1ccc2ccc(-c3cccc4c3-c3ccc5ccccc5c3C43C4CC5CC(C4)CC3C5)cc2c1.
What is the InChIKey of 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
The InChIKey is YEFZCHFOGYEIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29Br/c37-29-12-10-23-8-9-25(19-26(23)20-29)30-6-3-7-33-34(30)32-13-11-24-4-1-2-5-31(24)35(32)36(33)27-15-21-14-22(17-27)18-28(36)16-21/h1-13,19-22,27-28H,14-18H2.
What are the key properties of 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene]?
7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene] has a molecular weight of 541.53 g/mol, XLogP of 10.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(7-bromonaphthalen-2-yl)spiro[adamantane-2,11'-benzo[a]fluorene] is sourced from PubChem (CID 167353716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).